6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine

C46H40N2O — CID 164768089

IUPAC6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cccc4c3c2)cc1
InChIInChI=1S/C46H40N2O/c1-4-11-36(12-5-1)47(37-13-6-2-7-14-37)40-23-24-44-42(28-40)41-17-10-18-43(45(41)49-44)48(38-15-8-3-9-16-38)39-21-19-35(20-22-39)46-29-32-25-33(30-46)27-34(26-32)31-46/h1-24,28,32-34H,25-27,29-31H2
InChIKeyJXDJTNGSTGBWRF-UHFFFAOYSA-N
MW636.84 g/mol
LogP12.99
Rot. Bonds7

About 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine

6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine (PubChem CID 164768089) has the molecular formula C46H40N2O and a molecular weight of 636.84 g/mol. Its IUPAC name is 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine.

Molecular Properties

Compound Name6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
PubChem CID164768089
Molecular FormulaC46H40N2O
Molecular Weight636.84 g/mol
Exact Mass636.31
IUPAC Name6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cccc4c3c2)cc1
InChIInChI=1S/C46H40N2O/c1-4-11-36(12-5-1)47(37-13-6-2-7-14-37)40-23-24-44-42(28-40)41-17-10-18-43(45(41)49-44)48(38-15-8-3-9-16-38)39-21-19-35(20-22-39)46-29-32-25-33(30-46)27-34(26-32)31-46/h1-24,28,32-34H,25-27,29-31H2
InChIKeyJXDJTNGSTGBWRF-UHFFFAOYSA-N
XLogP12.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine with MolForge

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Related Compounds

1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
CID 164768042
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine
CID 155421569
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
CID 145264520
2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
CID 164843679
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-phenyl-N-[4-[4-(4-phenyl-N-[4-(3-tricyclo[3.3.1.03,7]nonanyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 155421656
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 162475564
N-[4-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 155421602

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine?
The IUPAC name of 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine (CID 164768089) is 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine.
What is the SMILES notation for 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine?
The canonical SMILES for 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4c(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)cccc4c3c2)cc1.
What is the InChIKey of 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine?
The InChIKey is JXDJTNGSTGBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2O/c1-4-11-36(12-5-1)47(37-13-6-2-7-14-37)40-23-24-44-42(28-40)41-17-10-18-43(45(41)49-44)48(38-15-8-3-9-16-38)39-21-19-35(20-22-39)46-29-32-25-33(30-46)27-34(26-32)31-46/h1-24,28,32-34H,25-27,29-31H2.
What are the key properties of 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine?
6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine has a molecular weight of 636.84 g/mol, XLogP of 12.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine is sourced from PubChem (CID 164768089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).